3D Mol Similar

6-Aminoindazole

Iupac Name：1H-indazol-6-amine

CAS No.: 6967-12-0

Molecular Weight：133.15058

Modify Date.: 2022-11-23 05:27

Introduction:

light brown powder

1H-indazol-6-amine is a member of indazoles.

View more+

Request For Quotation

1. Names and Identifiers

1.1 Name: 6-Aminoindazole
1.2 Synonyms: 1h-indazol-6-amine 1H-Indazol-6-ylamine 1H-Indazole, 6-amino- 6-AMINO-1H-INDAZOLE 6-AMINOBENZOPYRAZOLE 6-Aminoidazole 6-Indazolamine AKOS BBS-00003578 Aminoidazole LABOTEST-BB LT00114795 NSC 208700 NSC 68265

1.3 CAS No.: 6967-12-0

1.4 CID: 81423

1.5 EINECS(EC#): 230-177-1

1.6 Molecular Formula: C7H7N3 (isomer)

1.7 Inchi: InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)

1.8 InChkey: KEJFADGISRFLFO-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC2=C(C=C1N)NN=C2

1.10 Isomers Smiles: C1=CC2=C(C=C1N)NN=C2

2. Properties

2.1 Density: 1.367

2.1 Melting point: 204-206℃

2.1 Boiling point: 376.6 °C at 760 mmHg

2.1 Refractive index: 1.662

2.1 Flash Point: 209.5 °C

2.1 Precise Quality: 133.06400

2.1 PSA: 54.70000

2.1 logP: 1.72630

2.1 Appearance: Tan Powder

2.2 Chemical Properties: light brown powder

2.3 Color/Form: Powder

2.4 pKa: 15.61±0.40(Predicted)

2.5 Water Solubility: 18.2 [ug/mL]

2.6 Stability: Stable under normal temperatures and pressures.

2.7 StorageTemp: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

3. Use and Manufacturing

3.1 Purification Methods: It is recrystallised from H2O or EtOH and sublimes in a vacuum. [Beilstein 25 H 317.] 6-AminoindazoleSupplier

4. Safety and Handling

4.1 Hazard Codes: Xn

4.1 Risk Statements: R22;R36/37/38

4.1 Safety Statements: S26

4.1 Hazard Declaration: H302

4.1 RIDADR: OTH

4.1 Caution Statement: P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

4.1 WGK Germany: 3

4.1 RTECS: NK7712000

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : in DMSO-d6

13C NMR : Predict

1H NMR : 400 MHz in DMSO-d6

7. Synthesis Route

6967-12-0Total: 3 Synthesis Route

99-55-8 202 Suppliers

6967-12-0 107 Suppliers

Literatures:
Chemische Berichte, , vol. 23, p. 3642 Chemische Berichte, , vol. 25, p. 3152
Yield: null

7597-18-4 106 Suppliers

6967-12-0 107 Suppliers

Literatures:
Quinn, John F.; Bryant, Cole E.; Golden, Kathryn C.; Gregg, Brian T. Tetrahedron Letters, 2010 , vol. 51, # 5 p. 786 - 789
Yield: ~99%

64-17-5 400 Suppliers

7783-06-4 26 Suppliers

7597-18-4 106 Suppliers

6967-12-0 107 Suppliers

Literatures:
Chemische Berichte, , vol. 23, p. 3642 Chemische Berichte, , vol. 25, p. 3152
Yield: null

8. Precursor and Product

precursor:

64-17-5

99-55-8

7783-06-4

7597-18-4

product :

13744-68-8

763910-07-2

271-44-3

73907-95-6

73907-94-5

23244-88-4

73907-99-0

22295-47-2

69847-87-6

84837-23-0

88369-87-3

65642-21-9

88369-86-2

95091-98-8

72372-66-8

77929-35-2

79762-54-2

99055-55-7

View all

9. Other Information

9.0 Mesh Entry Terms: 6-aminoindazole

10. Computational chemical data

Molecular Weight: 133.15058g/mol
Molecular Formula: C₇H₇N₃
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 133.063997236
Monoisotopic Mass: 133.063997236
Complexity: 126
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 54.7
Heavy Atom Count: 10
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYBjAAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAYAAAADAjBHgQ8wPBjAACiAzRnQACSBAAgggAYuSAwZJgIIKKA0dGApABgmAAIyAcQgAAOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

11. Recommended Suppliers

Global106SuppliersView all >>

Dayang Chem (Hangzhou) Co., Ltd. Diamond member

12YRS

Products:Chemical products
Tel:86-571-88938639
Email:sales-gc@dycnchem.com

6-Aminoindazole

Purity:99%Packing: 200kg/bag FOB
Price: 3 USD/kilogram
Time: 2023/04/23

Inquire

SHANDONG BELIEVE CHEMICAL PTE LTD Diamond member

3YRS

Products:Pharmaceutical, chemical technology research and development
Tel:086-0532-80960264
Email:derek@believechem.com

6-Aminoindazole

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2023/05/30

Inquire

Jinlan Pharm-Drugs Technology Co., Limited Diamond member

10YRS

Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
Tel:86-571-85829052
Email:market@royalpharms.com

6-Aminoindazole

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kilogram
Time: 2023/03/14

Inquire

Nanjing Chemlin Chemical Co., Ltd. Diamond member

12YRS

Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
Tel:86-25-83697070
Email:sales@chemlin.com.cn

6-Amino-1H-indazole